SCHEMBL274792

SCHEMBL274792

O=C(O)C1=CN(C(=O)Oc2ccccc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.57
FAAH O00519 3/20 0.57
NR1H4 Q96RI1 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
PDE5A O76074 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5731188 0.92 TRPV1 (0.49) TRPV1FAAHNR1H4SMN1; SMN2CYP1A1
SCHEMBL273499 0.86 NR1H4 (0.67) TRPV1FAAHNR1H4KDM4EALDH1A1
SCHEMBL274478 0.85 NR1H4 (0.68) TRPV1FAAHNR1H4SMN1; SMN2KDM4E
SCHEMBL274721 0.83 NR1H4 (0.51) TRPV1FAAHNR1H4SMN1; SMN2CYP1A1
SCHEMBL272586 0.82 NR1H4 (0.61) NR1H4SMN1; SMN2CYP1A1CYP1A2CYP1B1
SCHEMBL274776 0.80 NR1H4 (0.65) TRPV1FAAHNR1H4KDM4EALDH1A1
SCHEMBL5732240 0.80 TRPV1 (0.49) TRPV1FAAHNR1H4CYP1A2LMNA
SCHEMBL274814 0.80 NR1H4 (0.64) TRPV1FAAHNR1H4SMN1; SMN2CYP1A1
SCHEMBL274712 0.80 NR1H4 (0.64) TRPV1FAAHNR1H4
SCHEMBL273929 0.79 NR1H4 (0.61) TRPV1NR1H4CYP1A1CYP1A2CYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR TRPV1 277/4885FAAH 1277/4885NR1H4 268/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C TRPV1 160/4885FAAH 560/4885NR1H4 253/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR TRPV1 277/4885FAAH 1277/4885NR1H4 268/4885
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 TRPV1 1130/4885FAAH 1867/4885NR1H4 1/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR TRPV1 412/4885FAAH 1223/4885NR1H4 75/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.